6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene

C17H16F2 — CID 142035350

IUPAC6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(-c3cc(F)cc(F)c3)ccc2C1
InChIInChI=1S/C17H16F2/c1-11-2-3-13-7-14(5-4-12(13)6-11)15-8-16(18)10-17(19)9-15/h4-5,7-11H,2-3,6H2,1H3
InChIKeyULKQATQDEMTLCD-UHFFFAOYSA-N
MW258.31 g/mol
LogP4.76
Rot. Bonds1

About 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene

6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 142035350) has the molecular formula C17H16F2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID142035350
Molecular FormulaC17H16F2
Molecular Weight258.31 g/mol
Exact Mass258.12
IUPAC Name6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(-c3cc(F)cc(F)c3)ccc2C1
InChIInChI=1S/C17H16F2/c1-11-2-3-13-7-14(5-4-12(13)6-11)15-8-16(18)10-17(19)9-15/h4-5,7-11H,2-3,6H2,1H3
InChIKeyULKQATQDEMTLCD-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 142035350) is 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene is CC1CCc2cc(-c3cc(F)cc(F)c3)ccc2C1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ULKQATQDEMTLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2/c1-11-2-3-13-7-14(5-4-12(13)6-11)15-8-16(18)10-17(19)9-15/h4-5,7-11H,2-3,6H2,1H3.
What are the key properties of 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene?
6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 258.31 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 142035350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).